SCHEMBL9470658

SCHEMBL9470658

C=C(NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MAPT P10636 1/20 0.43
PPARA Q07869 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
CTSK P43235 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1196890 0.89 SYK (0.51) SYKSMN1; SMN2LMNANPC1RAB9A
SCHEMBL136250 0.85 SMN1; SMN2 (0.53) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL18227188 0.85 LMNA (0.55) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL7951856 0.84 SYK (0.60) SYKSMN1; SMN2LMNANPC1RAB9A
SCHEMBL1813593 0.83 NPC1 (0.51) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL8473777 0.82 SYK (0.47) SYKSMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL20360331 0.81 ALDH1A1 (0.51) SYKSMN1; SMN2LMNANPC1RAB9A
SCHEMBL16460026 0.81 SMN1; SMN2 (0.48) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL7306620 0.81 LMNA (0.57) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL10498167 0.80 GAA (0.49) SMN1; SMN2LMNANPC1RAB9AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167921-A ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS 勃林格殷格翰动物保健美国公司 2019-08-23 CN disclosed
US-5192800-A Hypotensive agents PFIZER INC. (US) 1993-03-09 US disclosed
CN-1016778-B spiro-substituted glutaric acid monoamides PFIZER LTD (GB) 1992-05-27 CN disclosed
EP-0274234-B1 SPIRO-SUBSITUTED GLUTARAMIDE DIURETIC AGENTS Pfizer Limited (GB) 1991-09-11 EP disclosed
US-5030654-A Glutaramide diuretic agents PFIZER INC. (US) 1991-07-09 US disclosed
EP-0274234-A2 Spiro-subsituted glutaramide diuretic agents Pfizer Limited (GB) 1988-07-13 EP disclosed
CN-87107371-A The glutaramide diuretic agents of spiral shell-replacement 1988-07-06 CN disclosed